Table 2. X-ray data-collection and refinement statistics.

Values in parentheses are for the highest resolution bin.

Data collection
Space group	P212121
Unit-cell parameters ()	a = 79.41, b = 88.73, c = 94.74
Wavelength ()	0.97950
Resolution limits ()	50.01.62 (1.651.62)
Total reflections	250772
Unique reflections	84496
Multiplicity	3.0 (3.0)
Completeness (%)†	98.7 (99.7)
I/(I)	14.5 (2.04)
R merge ‡ (%)	7.1 (47.7)
Wilson B factor ()	18.4
Refinement
Resolution range ()	29.9831.620
No. of reflections	79895
R cryst § (%)	17.77
R free § (%)	20.55
R.m.s. deviation
Bond lengths ()	0.0176
Bond angles ()	2.38
Average B factor, protein atoms (2)	20.27
B-factor deviation (2)
C atoms (isotropic)	18.68
Side chain (isotropic)	20.35
Average B factor, solvent atoms (2)	29.92
No. of protein atoms	3745
No. of waters	372
No. of other solvent atoms (see 2)	90
Total No. of atoms	4207
No. of protein chains per asymmetric unit	2
Ramachandran analysis (%)
Favored	91.7
Allowed	8.3
Disallowed	0
PDB code	4en1

^†Completeness is the ratio of the number of observed reflections with I > 0 to the theoretically possible number of reflections.

^‡ R _merge = , where I(hkl) is the average of individual measurements of I(hkl).

^§ R _cryst and R _free = for reflections in the working and test sets (5% of all data), respectively.